Mol:BMFYB8AMf001
From Metabolomics.JP
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 15 14 0 0 1 0 0 0 0 0999 V2000 | + | 15 14 0 0 1 0 0 0 0 0999 V2000 |
| − | 7.1962 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 4.5981 -1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -2.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -2.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7 6 1 0 0 0 0 | + | 7 6 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 6 5 1 0 0 0 0 | + | 6 5 1 0 0 0 0 |
| − | 6 11 1 4 0 0 0 | + | 6 11 1 4 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 15 2 0 0 0 0 | + | 12 15 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 1 10 1 0 0 0 0 | + | 1 10 1 0 0 0 0 |
| − | 1 14 2 0 0 0 0 | + | 1 14 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMFYB8AMf001 | + | ID BMFYB8AMf001 |
| − | NAME | + | NAME S- (8-Amino-8-oxo-1-sulfanyloctan-3-yl) ethanethioic acid |
| − | FORMULA C10H19NO2S2 | + | CAS_RN 63640-92-6 |
| − | EXACTMASS 249.0857 | + | FORMULA C10H19NO2S2 |
| − | AVERAGEMASS 249.3954 | + | EXACTMASS 249.0857 |
| − | SMILES SCCC(CCCCC(N)=O)SC(C)=O | + | AVERAGEMASS 249.3954 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01136 | + | SMILES SCCC(CCCCC(N)=O)SC(C)=O |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01136 | ||
M END | M END | ||
| − | |||
Latest revision as of 18:04, 16 June 2010
Copyright: ARM project http://www.metabolome.jp/
15 14 0 0 1 0 0 0 0 0999 V2000
7.1962 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7 6 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
6 5 1 0 0 0 0
6 11 1 4 0 0 0
11 12 1 0 0 0 0
12 15 2 0 0 0 0
12 13 1 0 0 0 0
5 4 1 0 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
1 10 1 0 0 0 0
1 14 2 0 0 0 0
S SKP 7
ID BMFYB8AMf001
NAME S- (8-Amino-8-oxo-1-sulfanyloctan-3-yl) ethanethioic acid
CAS_RN 63640-92-6
FORMULA C10H19NO2S2
EXACTMASS 249.0857
AVERAGEMASS 249.3954
SMILES SCCC(CCCCC(N)=O)SC(C)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01136
M END
